Infrared, Raman and VCD spectra of (S)-(+)-Carvone-comparison of experimental and ab initio theoretical results

Journal of Molecular Structure

Volumn 661-662, Issue 1-3, 2003, Pages 525-539

  Hoffmann, Günter Georg ^a,b  

^a Hoffmann Datentechnik HHD   (Germany)

^b UNIVERSITY OF DUISBURG ESSEN   (Germany)

Author keywords

Ab initio; Density functional theory; IR; Raman; Vibrational circular dichroism

Indexed keywords

CARVONE;

ARTICLE; CIRCULAR DICHROISM; CONFORMATIONAL TRANSITION; ENERGY TRANSFER; EXPERIMENTAL TEST; INFRARED SPECTROSCOPY; INTERMETHOD COMPARISON; ISOMER; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; RAMAN SPECTROMETRY; ROOM TEMPERATURE; TEMPERATURE DEPENDENCE; VIBRATION;

EID: 0842327665     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2003.08.035     Document Type: Article

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